디벤질아민
Dibenzylamine
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기본 정보
- CAS
103-49-1- 표준 SMILES
c1ccc(CNCc2ccccc2)cc1- InChIKey
BWLUMTFWVZZZND-UHFFFAOYSA-N- 분자식
- C14H15N
- 평균 분자량
- 197.27 g/mol
- 단동위원소 질량
- 197.12044948
이름 및 식별자
- 우선 이름
- Dibenzylamine
- IUPAC
- N-benzyl-1-phenylmethanamine
- 현지명
- 디벤질아민
- 영어명
- Dibenzylamine
- 분자식
- C14H15N
- 분자량
- 197.28
이름 및 동의어
Dibenzylamine103-49-1Benzenemethanamine, N-(phenylmethyl)-BibenzylamineN-(Phenylmethyl)benzenemethanamineDTXSID60443553G0YFX01C6NSC-4811DTXCID4024355RefChem:132868203-117-7N-benzyl-1-phenylmethanamine
이름 더 보기
다이벤질아민N-(페닐메칠)벤제네메타나민디벤질아민Accelerator DBADBZADIBAMVulcaid 28forLabetalol
N,N-DibenzylamineN-BenzylbenzylaminebisbenzylamineDIBENZYL-AMINE(N-Benzylaminomethyl)benzeneMFCD00004770NSC 4811N,N-Dibenylamine
데이터베이스 식별자
- CAS
103-49-1- PubChem CID
- 7656
- DTXSID
DTXSID6044355- ChEMBL
CHEMBL3182419- ChEBI
CHEBI:189125- UNII
- 3G0YFX01C6
- EC Number
- 203-117-7
- Nikkaji
- J37.741D
물성
구조 계산 물성보충 중
- XLogP
- 2.7
- 극성 표면적
- 12 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 137
실험 및 물리화학적 성질
Vapor Pressure0.00026 [mmHg]
Physical DescriptionLiquid with an ammoniacal odor; [Merck Index] Colorless liquid with a weak odor; [Alfa Aesar MSDS]
Ionization Efficiency
Positive
5
2.7
Agilent XCT
Electrospray ionization
formic acid (5.3nM)
Kovats Retention Index
1688.9；1670
2427；2473；2473
Collision Cross Section149.6 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID6044355]；150.8 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID6044355]
물리화학적 성질
- 녹는점
- -26 °C · -26 °C (lit.)
- 끓는 점
- 300 °C · 300 °C (lit.)
- 밀도
- 1.026 g/mL · 1.026 g/mL at 25 °C (lit.)
- 증기압
- 1 · 1-1013hPa at 113.1-286℃
- 굴절률
- 20 · n20/D 1.574(lit.)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H302 (99.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (75.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (24.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (42.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (24.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H410 (44.1%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]；H412 (18.8%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P260, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P332+P317, P337+P317, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 256 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Regulatory Information
Chemical: Benzenemethanamine, N-(phenylmethyl)-
Benzenemethanamine, N-(phenylmethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenemethanamine, N-(phenylmethyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 14-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/11844；Status: Cease Manufacture Update: 06-02-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/24936；Status: Cease Manufacture Update: 14-03-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/7229
화학 및 산업
용도 및 제조
UsesUsed in the detection of cobalt, cyanate, and iron; [Merck Index] Used to make fine chemicals; [ExPub: ECHA REACH Registrations]
U.S. Production2022: 339,051 lb；2020: 523,600 lb
General Manufacturing InformationBenzenemethanamine, N-(phenylmethyl)-: ACTIVE
응용 분야
용도Dibenzylamine is used to prepare rubber accelerator for the vulcanization process and reaction-stoppers. Dibenzylamine type accelerators reduce nitrosamine production in the compounding process. It is also used to produce dibenzyl-nitroso-amine.
제조 방법
Dibenzylamine is obtained by the reaction of benzyl chloride and liquid ammonia in ethanol.
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